CID 2786689

Ethyl 6-chloro-5-cyano-2-methylnicotinate

Structural Information

Molecular Formula
C10H9ClN2O2
SMILES
CCOC(=O)C1=C(N=C(C(=C1)C#N)Cl)C
InChI
InChI=1S/C10H9ClN2O2/c1-3-15-10(14)8-4-7(5-12)9(11)13-6(8)2/h4H,3H2,1-2H3
InChIKey
QXZBVLFURRXJLB-UHFFFAOYSA-N
Compound name
ethyl 6-chloro-5-cyano-2-methylpyridine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

224.03525 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.042526 143.3
[M+Na]+ 247.024468 155.4
[M-H]- 223.027974 145.8
[M+NH4]+ 242.069073 159.9
[M+K]+ 262.998408 151.6
[M+H-H2O]+ 207.032510 131.3
[M+HCOO]- 269.033451 158.3
[M+CH3COO]- 283.049101 200.2
[M+Na-2H]- 245.009916 147.2
[M]+ 224.03470142 143.0
[M]- 224.03579858 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe